4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol

C15H31NO — CID 71071254

IUPAC4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol
SMILESCC(C)C1CCCCCC1N(C)CCCCO
InChIInChI=1S/C15H31NO/c1-13(2)14-9-5-4-6-10-15(14)16(3)11-7-8-12-17/h13-15,17H,4-12H2,1-3H3
InChIKeyWGWJULLWZORBJS-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.30
Rot. Bonds6

About 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol

4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol (PubChem CID 71071254) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol
PubChem CID71071254
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol
SMILESCC(C)C1CCCCCC1N(C)CCCCO
InChIInChI=1S/C15H31NO/c1-13(2)14-9-5-4-6-10-15(14)16(3)11-7-8-12-17/h13-15,17H,4-12H2,1-3H3
InChIKeyWGWJULLWZORBJS-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol?
The IUPAC name of 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol (CID 71071254) is 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol.
What is the SMILES notation for 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol?
The canonical SMILES for 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol is CC(C)C1CCCCCC1N(C)CCCCO.
What is the InChIKey of 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol?
The InChIKey is WGWJULLWZORBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2)14-9-5-4-6-10-15(14)16(3)11-7-8-12-17/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol?
4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol is sourced from PubChem (CID 71071254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).